General Information of the Compound
| Compound ID |
CP0333652
|
||||||||||||||||||
|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|---|
| Compound Name |
(+/-)-(3R,4S)-5,7-difluoro-6-(1H-indol-7-yl)-2,2,4-trimethyl-1,2,3,4-tetrahydroquinolin-3-yl methylcarbamate
Show/Hide
|
||||||||||||||||||
| Structure |
|
||||||||||||||||||
| Formula |
C22H23F2N3O2
|
||||||||||||||||||
| Molecular Weight |
399.441
|
||||||||||||||||||
| Canonical SMILES |
CNC(=O)O[C@@H]1[C@@H](C)c2c(NC1(C)C)cc(F)c(c2F)-c1cccc2cc[nH]c12
Show/Hide
|
||||||||||||||||||
| InChI |
InChI=1S/C22H23F2N3O2/c1-11-16-15(27-22(2,3)20(11)29-21(28)25-4)10-14(23)17(18(16)24)13-7-5-6-12-8-9-26-19(12)13/h5-11,20,26-27H,1-4H3,(H,25,28)/t11-,20+/m0/s1
Show/Hide
|
||||||||||||||||||
| InChIKey |
WXVIJGGWLVLLLN-PRWKNARSSA-N
|
||||||||||||||||||
| Physicochemical Property |
"RO5" indicates the cutoff set by lipinski's rule of five: (1) Molecular weight less than 500 Dalton; (2) xlogp less than 5; (3) No more than 5 hbonddonor (Hydrogen Bond Donor Count); (4) No more than 10 hbondacc (Hydrogen Bond Acceptor Count); (5) No more than 10 rotbonds (Rotatable Bond Count). Show/Hide
|
||||||||||||||||||
| Click to Show/Hide the External Link(s) of This Compound | |||||||||||||||||||
| PubChem ID | |||||||||||||||||||
| ChEMBL ID | |||||||||||||||||||
Map of Molecular Bioactivity Related to the Compound
|
Map of Molecular Bioactivity Related to the Compound Compound Cell Line Protein Bioactivity Value: <= 0.1 μM > 0.1 μM and <= 10 μM > 10 μM Imprecise Activity |
|
|---|
Table of Molecular Bioactivities Related to the Compound
Protein ID: PT00967, Glucocorticoid receptor
Cell-based Assay